Neural networks and genetic algorithms in drug design

Neural networks and genetic algorithms are versatile methods for a variety of tasks in rational drug design, including analysis of structure-activity data, establishment of quantitative structure-activity relationships (QSAR) , gene prediction, locating protein-coding regions in DNA sequences, 3D str ucture alignment, pharmacophore perception, docking of ligands to receptors , automated generation of small organic compounds, and the design of combin atorial libraries. Here, we give a brief overview of these applications of neural networks and genetic algorithms in drug design, and provide an insig ht into the underlying principles of such methods.